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3,13-Dithia-tricyclo[13.2.2.2*6,9*]henicosa-1(17),6(21),7,9(20),15,18-hexaene-16,18-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 1Fx5gJ3PfxJ
InChI InChI=1S/C23H26O4S2/c1-26-22(24)20-13-19-15-29-11-9-17-7-5-16(6-8-17)4-3-10-28-14-18(20)12-21(19)23(25)27-2/h5-8,12-13H,3-4,9-11,14-15H2,1-2H3
InChIKey QJZYFGSWUCIMDP-UHFFFAOYSA-N
Mol Weight 430.58 g/mol
Molecular Formula C23H26O4S2
Exact Mass 430.127252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGkzAEypFTM
Name 3,13-Dithia-tricyclo[13.2.2.2*6,9*]henicosa-1(17),6(21),7,9(20),15,18-hexaene-16,18-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 2,14-Dithia[5.4]paracyclophane-17,20-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O4S2
InChI InChI=1S/C23H26O4S2/c1-26-22(24)20-13-19-15-29-11-9-17-7-5-16(6-8-17)4-3-10-28-14-18(20)12-21(19)23(25)27-2/h5-8,12-13H,3-4,9-11,14-15H2,1-2H3
InChIKey QJZYFGSWUCIMDP-UHFFFAOYSA-N
Molecular Weight 430.577 g/mol
SMILES c1(cc2CSCCc3ccc(CCCSCc1cc2C(=O)OC)cc3)C(=O)OC
SPLASH splash10-001i-0940500000-6fb406d93292799e2642
Source of Spectrum U1-2009-235-38
Wiley ID 1662381